ethanedihydrazide

• ChemBase ID: 106812
• Molecular Formular: C2H6N4O2
• Molecular Mass: 118.09464
• Monoisotopic Mass: 118.04907545
• SMILES: NNC(=O)C(=O)NN
• Canonical SMILES: NNC(=O)C(=O)NN
• InChI: InChI=1S/C2H6N4O2/c3-5-1(7)2(8)6-4/h3-4H2,(H,5,7)(H,6,8)
• InChIKey: SWRGUMCEJHQWEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethanedihydrazide
• IUPAC Traditional name: ethanedioic acid, dihydrazide
• Synonyms: OXALDIHYDRAZIDE; oxalohydrazide; Oxalic dihydrazide; Oxalylhydrazide; Oxalyldihydrazide; Oxalyl dihydrazide; Oxalic dihydrazide; 乙二酰肼; 草酸二酰肼; 草酰二肼; 草酸二酰肼

Database IDs

• CAS Number: 996-98-5
• EC Number: 213-640-2
• MDL Number: MFCD00007608
• Beilstein Number: 1072110
• PubChem SID: 24886870; 162089047; 24848005
• PubChem CID: 13826

CALCULATED PROPERTIES

• Acid pKa: 9.77241
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -2.4710882
• LogD (pH = 7.4): -2.4722233
• Log P: -2.4705882
• Molar Refractivity: 27.0512 cm^3
• Polarizability: 9.875251 Å^3
• Polar Surface Area: 110.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 242-244 °C (dec.)(lit.); ca 240°C dec.

Safety Information

• RTECS: RO2840000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (N); 98%
• Grade: purum
• Linear Formula: NH2NHCOCONHNH2

DETAILS

MP Biomedicals - 05201513

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 131296

Packaging
25 g in glass bottle